UCSF

ZINC25783120

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 30 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.22 4.2 -19.41 4 11 0 157 404.39 5
Hi High (pH 8-9.5) 2.22 5 -67.32 3 11 -1 160 403.382 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )